SCHEMBL13537613

SCHEMBL13537613

Cc1cc(C(C)(F)F)cc(/C=C2\SC(=O)NC2=O)c1N1CCCC(CN)C1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PIM2 Q9P1W9 14/20 0.45
▸ PIM1 P11309 12/20 0.45
▸ PIM3 Q86V86 11/20 0.45
▸ KCNH2 Q12809 1/20 0.43
▸ STK17B O94768 2/20 0.43
▸ BCL2 P10415 2/20 0.43
▸ CSNK2A2 P19784 2/20 0.43
▸ CDK7 P50613 2/20 0.43
▸ DAPK1 P53355 2/20 0.43
▸ CAMK4 Q16566 2/20 0.43
▸ MAPK15 Q8TD08 2/20 0.43
▸ PNPLA2 Q96AD5 2/20 0.43
▸ HIPK3 Q9H422 2/20 0.43
▸ HPGD P15428 5/20 0.40
▸ NR1H4 Q96RI1 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL13537612 0.88 PIM2 (0.58) PIM2PIM1PIM3KCNH2STK17B
SCHEMBL12282627 0.84 PIM2 (0.53) PIM2PIM1PIM3KCNH2STK17B
SCHEMBL1580181 0.84 PIM2 (0.53) PIM2PIM1PIM3KCNH2STK17B
SCHEMBL1580182 0.84 PIM2 (0.53) PIM2PIM1PIM3KCNH2STK17B
SCHEMBL13537610 0.82 PIM2 (0.50) PIM2PIM1PIM3KCNH2STK17B
SCHEMBL13537774 0.78 PIM2 (0.57) PIM2PIM1PIM3KCNH2STK17B
SCHEMBL13537913 0.77 NR1H4 (0.39) PIM2PIM1PIM3HPGDNR1H4
SCHEMBL13537924 0.72 PIM2 (0.44) PIM2PIM1PIM3KCNH2STK17B
SCHEMBL13537785 0.72 PIM2 (0.43) PIM2PIM1PIM3HPGDNR1H4
SCHEMBL13537618 0.72 PIM2 (0.44) PIM2PIM1PIM3HPGD

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010001169-A2 CHEMICAL COMPOUNDS 251 ASTRAZENECA AB (SE) 2010-01-07 — — WO disclosed
Send feedback